Formula |
C23H27FN6O3 |
IUPAC Name |
4-(2-fluoro-4-methyl-anilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxy-cinnoline-3-carboxamide |
Molecular Mass |
454.497 g·mol−1 |
Heat of Formation |
-324.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.39 ± 1.08 D |
Volume |
527.26 Å 3 |
Surface Area |
430.23 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
1.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CPDGCAFPSYOTGO-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
N
O
F
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